Cas no 111093-45-9 (Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methyl-t3-sulfonio]-5'-deoxy-, inner salt)

Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methyl-t3-sulfonio]-5'-deoxy-, inner salt structure
111093-45-9 structure
Product Name:Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methyl-t3-sulfonio]-5'-deoxy-, inner salt
CAS No:111093-45-9
MF:C15H22N6O5S
MW:404.461709260941
CID:129107
PubChem ID:92043185
Update Time:2025-04-18

Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methyl-t3-sulfonio]-5'-deoxy-, inner salt Chemical and Physical Properties

Names and Identifiers

    • Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methyl-t3-sulfonio]-5'-deoxy-, inner salt
    • S-ADENOSYL-L-[METHYL-3H]METHIONINE
    • (Methyl-3H)-S-adenosylmethionine
    • Adenosine, 5'-((3-amino-3-carboxypropyl)methyl-t3-sulfonio)-5'-deoxy-, inner salt, (3S)-
    • SAM (METHYL-3H)
    • S-ADENOSYL-L-METHIONINE, [METHYL-3H]
    • ADENOSYL-L-METHIONINE, S-[METHYL-3H]-
    • S-(5μ-Adenosyl)-L-methionine-(methyl-3H)
    • 111093-45-9
    • S-Adenosyl-(methyl-3H)-methionine
    • DTXSID301015576
    • (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(tritritiomethyl)sulfonio]butanoate
    • Inchi： 1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1/i1T3
    • InChI Key： MEFKEPWMEQBLKI-QGRBLFOHSA-N
    • SMILES： [S+](C([3H])([3H])[3H])(CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 400.15312
  • Monoisotopic Mass: 404.16191175g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 527
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.8
  • Topological Polar Surface Area: 187?2

Experimental Properties

  • Flash Point: 58?°C
  • PSA: 182.63

Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methyl-t3-sulfonio]-5'-deoxy-, inner salt Security Information

  • Hazardous Material transportation number：UN 2910 7
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26-36
  • Hazardous Material Identification： R Xi
  • Risk Phrases：36/37/38
  • Safety Term：Hazard Codes R,XiRisk Statements 36/37/38Safety Statements 26-36RIDADR UN 2910 7WGK Germany 3

Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methyl-t3-sulfonio]-5'-deoxy-, inner salt Related Literature

111093-45-9 (Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methyl-t3-sulfonio]-5'-deoxy-, inner salt) Related Products

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